Geometry & MOs

Info

ID:	328905
PubChem CID:	126729061
Reduced:	OSN2H30C43 (1)
Stoich.:	ABC2D30E43 (1)
Weight, g/mol:	340.159393
ΔH_f, kcal/mol:	142.98
Dipole, Da:	3.33
IP(EA), eV:	-8.23(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[1-(3-chloro-4,5-dimethylphenyl)-3-methylbut-2-en-2-yl]-2-methylphenyl]ethanone

Drug info:

PubChemData

Smile

CC1(C2=C(C3=C(C=C2)C4=CC=CC=C4S3)OC5=C1C=C(C=C5)C6=CC=C(C=C6)C7=NC(=CC(=N7)C8=CC=CC=C8)C9=CC=CC=C9)C

DOS

IR

Vibrations